2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide

C18H18Cl2N2O3 — CID 162379687

IUPAC2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1COC1
InChIInChI=1S/C18H18Cl2N2O3/c19-15-4-3-12(6-16(15)20)7-18(24)22(14-10-25-11-14)9-17(23)13-2-1-5-21-8-13/h1-6,8,14,17,23H,7,9-11H2/t17-/m1/s1
InChIKeyBSGQDWWUMUKAQR-QGZVFWFLSA-N
MW381.26 g/mol
LogP2.89
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide

2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide (PubChem CID 162379687) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide
PubChem CID162379687
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1COC1
InChIInChI=1S/C18H18Cl2N2O3/c19-15-4-3-12(6-16(15)20)7-18(24)22(14-10-25-11-14)9-17(23)13-2-1-5-21-8-13/h1-6,8,14,17,23H,7,9-11H2/t17-/m1/s1
InChIKeyBSGQDWWUMUKAQR-QGZVFWFLSA-N
XLogP2.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide (CID 162379687) is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(C[C@@H](O)c1cccnc1)C1COC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide?
The InChIKey is BSGQDWWUMUKAQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-15-4-3-12(6-16(15)20)7-18(24)22(14-10-25-11-14)9-17(23)13-2-1-5-21-8-13/h1-6,8,14,17,23H,7,9-11H2/t17-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide?
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide has a molecular weight of 381.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)acetamide is sourced from PubChem (CID 162379687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).